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  1. Workflow_Ternary_ConvexHull Workflow_Ternary_ConvexHull Public

    Repository with the data associated with the manuscript: Rossignol, H, Minotakis, M, Cobelli, M, Sanvito, S, "Machine-Learning-Assisted Construction of Ternary Convex Hull Diagrams." arXiv preprint…

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  2. Electron_charge2mass_exp Electron_charge2mass_exp Public

    Short script to process experimental results and compute the electron charge to mass ratio with the distributions.

    Jupyter Notebook

  3. ML_Symmetry_Analysis_for_Materials ML_Symmetry_Analysis_for_Materials Public

    This is a repository to showcase the use of M3GNet as a MLIAP for relaxation.

    Jupyter Notebook